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CHEMDIV-ZINC04076480

 MMsINC code: MMs00924943
Type: Neutral
Formula: C19H26N2O4
SMILES:   o1nc(cc1-c1ccc(OCC)cc1)CCCC(=O)NCCCOC
InChI:   InChI=1/C19H26N2O4/c1-3-24-17-10-8-15(9-11-17)18-14-16(21-25-18)6-4-7-19(22)20-12-5-13-23-2/h8-11,14H,3-7,12-13H2,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=61.2117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.427 g/mol  logS: -3.59262  SlogP: 3.21567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0244248  Sterimol/B1: 2.17297  Sterimol/B2: 3.65188  Sterimol/B3: 3.7229
  Sterimol/B4: 5.58397  Sterimol/L: 25.8268 
 
 Surface and Volume Properties
  Accessible surface: 700.354  Positive charged surface: 515.024  Negative charged surface: 185.329  Volume: 348.125
  Hydrophobic surface: 589.428  Hydrophilic surface: 110.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.